4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide

C20H24N4O — CID 163348357

IUPAC4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCNC(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1
InChIInChI=1S/C20H24N4O/c1-2-9-21-20(25)24-10-7-15(8-11-24)18-6-5-16-12-17(14-3-4-14)13-22-19(16)23-18/h2,5-6,12-15H,1,3-4,7-11H2,(H,21,25)
InChIKeyPQUQPHZGVLKYLD-UHFFFAOYSA-N
MW336.44 g/mol
LogP3.58
Rot. Bonds4

About 4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide

4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide (PubChem CID 163348357) has the molecular formula C20H24N4O and a molecular weight of 336.44 g/mol. Its IUPAC name is 4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide.

Molecular Properties

Compound Name4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide
PubChem CID163348357
Molecular FormulaC20H24N4O
Molecular Weight336.44 g/mol
Exact Mass336.20
IUPAC Name4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide
SMILESC=CCNC(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1
InChIInChI=1S/C20H24N4O/c1-2-9-21-20(25)24-10-7-15(8-11-24)18-6-5-16-12-17(14-3-4-14)13-22-19(16)23-18/h2,5-6,12-15H,1,3-4,7-11H2,(H,21,25)
InChIKeyPQUQPHZGVLKYLD-UHFFFAOYSA-N
XLogP3.58
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide?
The IUPAC name of 4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide (CID 163348357) is 4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide.
What is the SMILES notation for 4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide?
The canonical SMILES for 4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide is C=CCNC(=O)N1CCC(c2ccc3cc(C4CC4)cnc3n2)CC1.
What is the InChIKey of 4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide?
The InChIKey is PQUQPHZGVLKYLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4O/c1-2-9-21-20(25)24-10-7-15(8-11-24)18-6-5-16-12-17(14-3-4-14)13-22-19(16)23-18/h2,5-6,12-15H,1,3-4,7-11H2,(H,21,25).
What are the key properties of 4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide?
4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide has a molecular weight of 336.44 g/mol, XLogP of 3.58, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-cyclopropyl-1,8-naphthyridin-2-yl)-N-prop-2-enylpiperidine-1-carboxamide is sourced from PubChem (CID 163348357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).